Geometry & MOs

Info

ID:	373544
PubChem CID:	131316774
Reduced:	ClSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	255.996093
ΔH_f, kcal/mol:	-97.75
Dipole, Da:	7.79
IP(EA), eV:	-9.17(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-ethoxy-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C(=C1)Cl)C(=CS2)C(=O)O

DOS

IR

Vibrations